2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol

C15H15ClO3S — CID 135064647

IUPAC2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO3S/c1-11-2-8-14(9-3-11)20(18,19)15(10-17)12-4-6-13(16)7-5-12/h2-9,15,17H,10H2,1H3
InChIKeyCAWSZGFXHQZQPA-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol

2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol (PubChem CID 135064647) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol
PubChem CID135064647
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO3S/c1-11-2-8-14(9-3-11)20(18,19)15(10-17)12-4-6-13(16)7-5-12/h2-9,15,17H,10H2,1H3
InChIKeyCAWSZGFXHQZQPA-UHFFFAOYSA-N
XLogP3.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol (CID 135064647) is 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol is Cc1ccc(S(=O)(=O)C(CO)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol?
The InChIKey is CAWSZGFXHQZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-11-2-8-14(9-3-11)20(18,19)15(10-17)12-4-6-13(16)7-5-12/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol?
2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol has a molecular weight of 310.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethanol is sourced from PubChem (CID 135064647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).